2-(Acetylamino)-2-Deoxy-4-O-Beta-D-Galactopyranosyl-Alpha-D-Glucopyranose
Thuốc Gốc
Small Molecule
CTHH: C14H25NO11
PTK: 383.3484
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H25NO11
Phân tử khối
383.3484
Monoisotopic mass
383.142760647
InChI
InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12+,13-,14+/m1/s1
InChI Key
InChIKey=KFEUJDWYNGMDBV-DNXXAFDGSA-N
IUPAC Name
N-[(2R,3R,4R,5R,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
Traditional IUPAC Name
N-[(2R,3R,4R,5R,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
SMILES
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Độ hòa tan
2.59e+02 g/l
logP
-5
logS
-0.17
pKa (strongest acidic)
11.5
pKa (Strongest Basic)
-3
PSA
198.4 Å2
Refractivity
79.44 m3·mol-1
Polarizability
35.78 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
11
H Bond Donor Count
8
Physiological Charge
0
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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